Synthesis, crystal, and molecular structures of HIDA and its monomethyl ester

Ribár, Β.; Mészáros, Cs.; Vladimirov, Sote; Zivanov-Stakic, D.; Jovanović, Marija; Zmbova, B.; Engel, Peter

doi:10.1007/bf02281737

Cited by 3 publications

(4 citation statements)

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“…1 mol L −1 99% of the Y 3+ is fully hydrated and the nitrato-complex with only ∼1% becomes insignificant. The nitrate is tentatively assumed to be monodentate, although in solid state compounds of hydrated Y(NO 3 ) 3 such as Y(OH 2 ) 4 (NO 3 ) 3 ·2H 2 O nitrate occurs in bidentate fashion 61. It may be deduced from the work by Dobler et al62 investigating Ln(III) cations interacting with NO 3 − , that in aqueous solution with enough water to fully hydrate the trivalent cation Ln(III) (Ln = Lu 3+ ) nitrate acts as a monodentate ligand.…”

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confidence: 99%

Hydration and ion pair formation in aqueous Y³⁺–salt solutions

Rudolph

Irmer

2015

Dalton Trans.

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Raman spectra of aqueous yttrium perchlorate, triflate (trifluoromethanesulfonate), chloride and nitrate solutions were measured over a broad concentration range (0.198-3.252 mol L(-1)). The spectra range from low wavenumbers to 4200 cm(-1). A very weak mode at 384 cm(-1) with a full width at half height at 50 cm(-1) in the isotropic spectrum suggests that the Y(3+)- octa-aqua ion is thermodynamically stable in dilute perchlorate solutions (∼0.5 mol L(-1)) while in concentrated perchlorate solutions outer-sphere ion pairs and contact ion pairs are formed. The octa-hydrate, [Y(OH2)8](3+) was also detected in a 1.10 mol L(-1) aqueous Y(CF3SO3)3 solution. Furthermore, very weak and broad depolarized modes could be detected which are assigned to [Y(OH2)8](3+)(aq) at 100, 166, 234 and 320 cm(-1) confirming that a hexa-hydrate is not compatible with the hydrated species in solution. In yttrium chloride solutions contact ion pair formation was detected over the measured concentration range from 0.479-3.212 mol L(-1). The contact ion pairs in YCl3(aq) are fairly weak and disappear with dilution. At a concentration <0.2 mol L(-1) almost all complexes have disappeared. In YCl3 solutions, with additional HCl, chloro-complexes of the type [Y(OH2)8-nCln](+3-n) (n = 1,2) are formed. The Y(NO3)3(aq) spectra were compared with a spectrum of a dilute NaNO3 solution and it was concluded that in Y(NO3)3(aq) over the concentration range from 2.035-0.198 mol L(-1) nitrato-complexes [Y(OH2)8-n(NO3)ln](+3-n) (n = 1,2) are formed. The nitrato-complexes are weak and disappear with dilution <0.1 mol L(-1). DFT geometry optimizations and frequency calculations are reported for both the yttrium-water cluster in the gas phase and the cluster within a polarizable continuum model in order to implicitly describe the presence of the bulk solvent. The bond distance and angle for the square antiprismatic cluster geometry of [Y(OH2)8](3+) with the polarizable dielectric continuum is in good agreement with data from recent structural experimental measurements. The DFT frequency of the Y-O stretching mode of the [Y(OH2)8](3+) cluster, in a polarizable continuum, is at 372 cm(-1) in satisfactory agreement with the experimental value.

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Hydration and ion pair formation in aqueous Y³⁺–salt solutions

Rudolph

Irmer

2015

Dalton Trans.

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“…Regarded to the distribution diagram, maximum concentration of the zwitterion is at that pH approximately, so it can be expected that METHYLIODIDA crystallized as a zwitterionic form. This consideration is supported by X-ray diffraction determination of crystal structures, of 2,6-dimethylphenylcarbamoylmethyl iminodiacetic acid and its monomethylester, structurally similar compounds obtained in the same manner which crystallized as zwitterionic form [13].…”

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confidence: 99%

Determination of the ionization constants of 4-iodo-2,6-dimethylphenylcarbamoylmethyl iminodiacetic acid

Jovanović

Popovic

Kapetanović

et al. 2004

Journal of Pharmaceutical and Biomedical Analysis

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“…Compounds 1a and 1b were readily synthesized according to literature procedures15,16 by chloroacetylation of the corresponding aniline and subsequent reaction with iminodiacetic acid. Complexes were prepared by mixing aqueous solutions of the corresponding metal salt and ligand, which were both adjusted to pH 4 (Ga III ) or pH 6 (Y III and Lu III ) beforehand.…”

Section: Resultsmentioning

confidence: 99%

“…Syntheses: 1a and 1b were synthesized according to literature procedures 16,15. All complexes were synthesized by two methods.…”

Section: Methodsmentioning

confidence: 99%

Synthesis and Characterization of Ga^III, Y^III, and Lu^III Complexes with Etifenin and Analogues

Pfeifer-Leeg

Szabó

Baranyai

et al. 2016

Zeitschrift anorg allge chemie

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Complexes of etifenin (1a), disofenin (1b), and mebrofenin (1c) with GaIII, YIII, and LuIII were synthesized and characterized by NMR spectroscopy and UV/Vis spectroscopy. Stability and protonation constants of the complexes of 1a were determined by potentiometry and distribution diagrams were calculated. It was shown that the YIII and LuIII species are most stable as bis chelates at higher pH, whereas the GaIII complex degrades at pH < 4.5.

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Synthesis, crystal, and molecular structures of HIDA and its monomethyl ester

Cited by 3 publications

References 3 publications

Hydration and ion pair formation in aqueous Y³⁺–salt solutions

Hydration and ion pair formation in aqueous Y³⁺–salt solutions

Determination of the ionization constants of 4-iodo-2,6-dimethylphenylcarbamoylmethyl iminodiacetic acid

Synthesis and Characterization of Ga^III, Y^III, and Lu^III Complexes with Etifenin and Analogues

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Synthesis, crystal, and molecular structures of HIDA and its monomethyl ester

Cited by 3 publications

References 3 publications

Hydration and ion pair formation in aqueous Y3+–salt solutions

Hydration and ion pair formation in aqueous Y3+–salt solutions

Determination of the ionization constants of 4-iodo-2,6-dimethylphenylcarbamoylmethyl iminodiacetic acid

Synthesis and Characterization of GaIII, YIII, and LuIII Complexes with Etifenin and Analogues

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Hydration and ion pair formation in aqueous Y³⁺–salt solutions

Hydration and ion pair formation in aqueous Y³⁺–salt solutions

Synthesis and Characterization of Ga^III, Y^III, and Lu^III Complexes with Etifenin and Analogues